![2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline structure](/static/products/4454/445463-96-7.webp)
2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
TL;DR: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline (CAS 445463-96-7) is a chemical compound with molecular formula C20H24N4O4S and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
Also Known As: A2734/0116098, 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline, 2-{5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-1,2,3,4-tetrahydroisoquinoline, 2-{5-[4-(METHYLSULFONYL)PIPERAZINO]-2-NITROPHENYL}-1,2,3,4-TETRAHYDROISOQUINOLINE
| Molecular Formula | C20H24N4O4S |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 2.2391 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.15182 |
| Heavy Atoms | 29 |
| Complexity | 1032.5267 |
Chemical Identifiers
| CAS Number | 445463-96-7 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3 |
Product Overview
2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline (CAS 445463-96-7), with molecular formula C20H24N4O4S and molecular weight 416.15 g/mol. IUPAC: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
Property Insights of 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline
The XLogP value of 2.2391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline. Following Lipinski's Rule of Five, 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is 445463-96-7.
What is the molecular formula of 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is C20H24N4O4S.
What is the molecular weight of 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline is 416.15 g/mol.
Where can I buy 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.